1-(3-bromo-4-methoxyphenyl)-1-(2,5-dimethylphenyl)-N-methylmethanamine

C17H20BrNO — CID 43479934

IUPAC1-(3-bromo-4-methoxyphenyl)-1-(2,5-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(OC)c(Br)c1)c1cc(C)ccc1C
InChIInChI=1S/C17H20BrNO/c1-11-5-6-12(2)14(9-11)17(19-3)13-7-8-16(20-4)15(18)10-13/h5-10,17,19H,1-4H3
InChIKeyHEYKLZSUKAPKFW-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.38
Rot. Bonds4

About 1-(3-bromo-4-methoxyphenyl)-1-(2,5-dimethylphenyl)-N-methylmethanamine

1-(3-bromo-4-methoxyphenyl)-1-(2,5-dimethylphenyl)-N-methylmethanamine (PubChem CID 43479934) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is 1-(3-bromo-4-methoxyphenyl)-1-(2,5-dimethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-methoxyphenyl)-1-(2,5-dimethylphenyl)-N-methylmethanamine
PubChem CID43479934
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name1-(3-bromo-4-methoxyphenyl)-1-(2,5-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(OC)c(Br)c1)c1cc(C)ccc1C
InChIInChI=1S/C17H20BrNO/c1-11-5-6-12(2)14(9-11)17(19-3)13-7-8-16(20-4)15(18)10-13/h5-10,17,19H,1-4H3
InChIKeyHEYKLZSUKAPKFW-UHFFFAOYSA-N
XLogP4.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-4-methylphenyl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine
CID 81472448
1-(5-bromo-2-methoxyphenyl)-1-(2,5-dimethylphenyl)-N-methylmethanamine
CID 43480052
1-(3-chloro-4-methylphenyl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine
CID 63195310
1-(3,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 43481207
1-(2,5-dimethylphenyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 43483809
[(3-bromo-4-methoxyphenyl)-(2,4,5-trimethylphenyl)methyl]hydrazine
CID 105312956
1-(5-bromo-2-fluorophenyl)-1-(3-bromo-4-methoxyphenyl)-N-methylmethanamine
CID 43479930
1-(3-bromo-4-methoxyphenyl)-1-(4-chlorophenyl)-N-methylmethanamine
CID 43479980
1-(5-bromo-2-methoxyphenyl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine
CID 43480055
1-(2-bromo-5-methylphenyl)-1-(4-methoxy-2,5-dimethylphenyl)-N-methylmethanamine
CID 105032785
3-[(3-bromo-4-methoxyphenyl)-(methylamino)methyl]-4-methylpyridin-2-amine
CID 106950916
1-bromo-2-[(3-bromo-4-methoxyphenyl)-chloromethyl]-4-methylbenzene
CID 81111868

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methoxyphenyl)-1-(2,5-dimethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromo-4-methoxyphenyl)-1-(2,5-dimethylphenyl)-N-methylmethanamine (CID 43479934) is 1-(3-bromo-4-methoxyphenyl)-1-(2,5-dimethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromo-4-methoxyphenyl)-1-(2,5-dimethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromo-4-methoxyphenyl)-1-(2,5-dimethylphenyl)-N-methylmethanamine is CNC(c1ccc(OC)c(Br)c1)c1cc(C)ccc1C.
What is the InChIKey of 1-(3-bromo-4-methoxyphenyl)-1-(2,5-dimethylphenyl)-N-methylmethanamine?
The InChIKey is HEYKLZSUKAPKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-11-5-6-12(2)14(9-11)17(19-3)13-7-8-16(20-4)15(18)10-13/h5-10,17,19H,1-4H3.
What are the key properties of 1-(3-bromo-4-methoxyphenyl)-1-(2,5-dimethylphenyl)-N-methylmethanamine?
1-(3-bromo-4-methoxyphenyl)-1-(2,5-dimethylphenyl)-N-methylmethanamine has a molecular weight of 334.26 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methoxyphenyl)-1-(2,5-dimethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 43479934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).